Activation and Transformation of Ethane by Au2VO3+ Clusters with Closed-Shell Electronic Structures
文献类型：期刊论文
| 作者 | Li, Ya-Ke1,2; Li, Zi-Yu1,2; Zhao, Yan-Xia1; Liu, Qing-Yu1,2; Meng, Jing-Heng1,2; He, Sheng-Gui1 |
| 刊名 | CHEMISTRY-A EUROPEAN JOURNAL
 |
| 出版日期 | 2016-01-26 |
| 卷号 | 22期号:5页码:1825-1830 |
| 关键词 | C-H activation density functional theory ethene gold mass spectrometry vanadium |
| 英文摘要 | The study of chemical reactions between gold-containing heteronuclear oxide clusters and small molecules can provide molecular level mechanisms to understand the excellent activity of gold supported by metal oxides. While the promotion role of gold in alkane transformation was identified in the clusters with atomic oxygen radicals (O-C), the role of gold in the systems without O-C is not clear. By employing mass spectrometry and quantum chemistry calculations, the reactivity of Au2VO3+ clusters with closed-shell electronic structures toward ethane was explored. Both the dehydrogenation and ethene elimination channels were identified. It is gold rather than oxygen species initiating the C-H activation. The Au-Au dimer formed during the reactions plays important roles in ethane transformation. The reactivity comparison between Au2VO3+ and bare Au-2(+) demonstrates that Au2VO3+ not only retains the property of bare Au-2(+) that transforming ethane to dihydrogen, but also exhibits new functions in converting ethane to ethene, which reveals the importance of the composite system. This study provides a further understanding of the reactivity of metal oxide supported gold in alkane activation and transformation. |
| 收录类别 | SCI |
| 语种 | 英语 |
| 公开日期 | 2016-05-03 |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/30093]  |
| 专题 | 化学研究所_分子动态与稳态结构实验室 |
| 作者单位 | 1.Chinese Acad Sci, Inst Chem, State Key Lab Struct Chem Unstable & Stable Speci, Beijing Natl Lab Mol Sci, Beijing 100190, Peoples R China 2.Univ Chinese Acad Sci, Beijing 100049, Peoples R China |
| 推荐引用方式 GB/T 7714 | Li, Ya-Ke,Li, Zi-Yu,Zhao, Yan-Xia,et al. Activation and Transformation of Ethane by Au2VO3+ Clusters with Closed-Shell Electronic Structures[J]. CHEMISTRY-A EUROPEAN JOURNAL,2016,22(5):1825-1830. |
| APA | Li, Ya-Ke,Li, Zi-Yu,Zhao, Yan-Xia,Liu, Qing-Yu,Meng, Jing-Heng,&He, Sheng-Gui.(2016).Activation and Transformation of Ethane by Au2VO3+ Clusters with Closed-Shell Electronic Structures.CHEMISTRY-A EUROPEAN JOURNAL,22(5),1825-1830. |
| MLA | Li, Ya-Ke,et al."Activation and Transformation of Ethane by Au2VO3+ Clusters with Closed-Shell Electronic Structures".CHEMISTRY-A EUROPEAN JOURNAL 22.5(2016):1825-1830. |
入库方式： OAI收割
来源：化学研究所
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